6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C21H20FN5O — CID 122510958

IUPAC6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C21H20FN5O/c1-3-13(2)27-12-25-19(14-4-7-16(22)8-5-14)20(27)15-6-9-18-24-10-17(21(23)28)26(18)11-15/h4-13H,3H2,1-2H3,(H2,23,28)
InChIKeyJIALVLIWDWZWDG-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.07
Rot. Bonds5

About 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510958) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510958
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C21H20FN5O/c1-3-13(2)27-12-25-19(14-4-7-16(22)8-5-14)20(27)15-6-9-18-24-10-17(21(23)28)26(18)11-15/h4-13H,3H2,1-2H3,(H2,23,28)
InChIKeyJIALVLIWDWZWDG-UHFFFAOYSA-N
XLogP4.07
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510958) is 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2c1.
What is the InChIKey of 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JIALVLIWDWZWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-3-13(2)27-12-25-19(14-4-7-16(22)8-5-14)20(27)15-6-9-18-24-10-17(21(23)28)26(18)11-15/h4-13H,3H2,1-2H3,(H2,23,28).
What are the key properties of 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-butan-2-yl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).